SCHEMBL1428208

SCHEMBL1428208

COc1cccc(-c2[nH]c3ccccc3c2C=C2Oc3cc(O)cc(O)c3C2=O)c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.80
MTOR P42345 18/20 0.80
PIK3CG P48736 12/20 0.80
ABCC2 Q92887 1/20 0.54
PNLIP P16233 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4330082 1.00 PIK3CA (0.80) PIK3CAMTORPIK3CGABCC2PNLIP
SCHEMBL4331954 0.91 PIK3CA (0.83) PIK3CAMTORPIK3CGABCC2PNLIP
SCHEMBL1429495 0.91 PIK3CA (0.83) PIK3CAMTORPIK3CGABCC2PNLIP
SCHEMBL3211158 0.89 PIK3CA (1.00) PIK3CAMTORPIK3CGPNLIP
SCHEMBL1429326 0.89 PIK3CA (1.00) PIK3CAMTORPIK3CGPNLIP
SCHEMBL1429396 0.89 PIK3CA (0.86) PIK3CAMTORPIK3CGPNLIP
SCHEMBL4333667 0.89 PIK3CA (0.86) PIK3CAMTORPIK3CGPNLIP
SCHEMBL1428588 0.88 PIK3CA (1.00) PIK3CAMTORPIK3CGABCC2PNLIP
SCHEMBL4329100 0.88 PIK3CA (1.00) PIK3CAMTORPIK3CGABCC2PNLIP
SCHEMBL1428907 0.86 PIK3CA (0.82) PIK3CAMTORPIK3CGABCC2PNLIP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP claimed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO claimed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US claimed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 PIK3CA 4/4885MTOR 1/4885PIK3CG 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.